NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2935 8.3049 120.3488 54.8980 33.6224 175.1477 2 L 4.2775 7.8388 117.9334 52.1036 41.7204 174.9483 3 S 4.3574 8.2225 119.7337 56.7454 64.1981 174.3293 4 V 3.4874 8.5937 127.0900 65.6011 31.9474 176.8932 5 A 3.4107 8.0595 116.1494 57.0044 17.9427 177.7312 6 A 4.5093 8.4192 116.3644 51.3829 18.9198 179.7886 7 R 3.8912 8.0146 122.0662 59.2569 30.2378 176.6968 8 S 4.8207 8.4705 113.2699 57.4959 61.7195 170.3667 9 G 4.3092 7.4817 121.1236 45.4929 0.0000 169.2981 10 P 4.5565 0.0000 0.0000 61.4902 33.3660 176.7211 11 F 5.1764 8.3720 118.8997 57.5533 39.9810 175.4099 12 A 4.7525 8.8280 123.8095 49.4101 21.3007 173.6779 13 P 5.1865 0.0000 0.0000 63.2752 32.9886 176.4893 14 V 4.3498 8.0543 120.2490 61.9951 34.6724 173.7434 15 L 5.0745 8.4433 127.4356 53.6048 44.3676 175.5311 16 S 4.5086 8.4244 112.2058 56.9601 65.2172 173.5647 17 A 4.1104 8.7662 130.4654 55.4146 17.6932 177.2349 18 T 4.3821 7.3457 104.8972 63.5569 70.0726 176.1529 19 S 4.5161 7.7667 117.0337 57.5826 65.1538 173.2824 20 R 4.6512 8.1302 117.9395 54.1455 32.5642 175.9318 21 G 3.7152 8.5983 108.1726 46.8056 0.0000 172.9169 22 V 4.6672 8.8377 124.9226 61.0582 34.8429 173.9640 23 A 4.6471 7.6774 125.6789 49.7794 22.2303 175.0560 24 G 3.8844 8.0287 108.3059 46.5324 0.0000 176.6996 25 A 4.6262 8.5927 128.1997 50.6022 20.9288 180.0148 26 L 4.4419 9.0785 109.0346 58.4867 43.3149 176.0158 27 R 3.2663 7.4783 110.5781 55.6561 29.2896 175.0966 28 P 4.4977 0.0000 0.0000 62.2011 32.3761 176.2425 29 L 4.1123 8.5862 124.1049 57.9594 42.6125 179.0799 30 V 3.6307 7.8334 117.2863 66.1222 31.5874 177.9248 31 Q 4.3578 7.8838 117.0801 55.8071 27.9726 176.6791 32 A 4.5778 7.5605 116.2174 52.5939 20.3811 177.3761 33 A 4.5146 8.1103 119.3203 53.6207 18.9707 178.9132 34 V 4.3355 8.1222 114.4655 63.1891 35.4101 173.7551 35 P 4.7016 0.0000 0.0000 61.4364 32.8209 173.8960 36 A 4.7992 8.1790 121.2740 52.2002 22.0161 175.5909 37 T 3.5090 8.1816 112.4268 65.0858 66.1942 174.4984 38 S 4.5696 7.6423 115.6103 56.7827 61.3658 173.8351 39 E 4.2519 7.6311 121.7384 54.3999 31.6378 175.9527 40 S 4.5941 9.7342 112.7354 58.3634 62.6767 169.1940 41 P 3.8545 0.0000 0.0000 61.4506 29.2132 175.8797 42 V 4.1366 8.3529 123.9975 59.7557 30.9628 172.8209 43 L 4.1767 7.4555 124.5787 53.3666 39.6215 172.5899 44 D 4.5911 7.7865 118.7848 51.4098 42.2963 175.0739 45 L 3.9258 7.9723 122.7062 56.0319 40.0545 176.3871 46 K 4.1339 7.1958 129.7738 57.5120 35.1154 174.2352 47 R 4.3685 7.7045 116.7753 56.4048 32.4771 173.9844 48 S 4.8717 8.5271 117.6624 56.6517 65.9614 173.7059 49 V 4.3770 7.8251 120.5260 61.8575 34.4383 176.8227 50 L 3.3729 9.6704 120.8524 57.8355 42.5973 175.7814 51 C 3.8755 7.7986 115.2479 58.3296 29.7205 172.0930 52 R 4.5384 8.1366 115.1407 56.2909 34.2277 173.6577 53 E 3.4976 9.9081 116.7334 56.0737 25.2619 176.6772 54 S 4.3710 7.4569 108.6642 58.5130 64.5121 173.2260 55 L 4.1798 7.3047 134.0799 55.8396 44.8279 173.9884 56 R 4.4679 8.3194 115.7248 55.5312 33.3111 174.3231 57 G 3.8995 8.9354 109.0228 46.2215 0.0000 173.2736 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.29 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 L 7.84 4.28 0.00 1.71 1.61 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.22 4.36 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.59 3.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 5 A 8.06 3.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.42 4.51 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.01 3.89 0.00 1.75 1.97 0.00 3.42 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 8 S 8.47 4.82 0.00 3.89 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.48 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.56 0.00 2.06 2.01 0.00 3.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 11 F 8.37 5.18 0.00 2.90 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.83 4.75 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.19 0.00 2.06 2.00 0.00 3.42 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 14 V 8.05 4.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 15 L 8.44 5.07 0.00 1.54 1.57 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.42 4.51 0.00 3.78 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.77 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.35 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 19 S 7.77 4.52 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.13 4.65 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 21 G 8.60 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.84 4.67 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 23 A 7.68 4.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.59 4.63 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.08 4.44 0.00 1.85 1.54 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.48 3.27 0.00 1.99 2.27 0.00 3.40 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 28 P 0.00 4.50 0.00 2.21 2.10 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 29 L 8.59 4.11 0.00 1.77 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.83 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 31 Q 7.88 4.36 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 A 7.56 4.58 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.11 4.51 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.12 4.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 35 P 0.00 4.70 0.00 2.21 1.94 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 36 A 8.18 4.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.18 3.51 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 S 7.64 4.57 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.63 4.25 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 40 S 9.73 4.59 0.00 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 3.85 0.00 2.09 2.22 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 42 V 8.35 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 43 L 7.46 4.18 0.00 1.75 1.90 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.79 4.59 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.97 3.93 0.00 1.77 1.80 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.20 4.13 0.00 1.79 1.60 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.38 7.81 47 R 7.70 4.37 0.00 1.76 1.73 0.00 3.38 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 48 S 8.53 4.87 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.83 4.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 50 L 9.67 3.37 0.00 1.86 1.80 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.80 3.88 0.00 3.20 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.14 4.54 0.00 1.76 1.81 0.00 3.27 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 53 E 9.91 3.50 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 54 S 7.46 4.37 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.30 4.18 0.00 1.59 1.40 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.32 4.47 0.00 1.82 1.79 0.00 3.44 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 0.00 57 G 8.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00